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Patent code US9227959

Compile Data Set for Download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))
BDBM199988
PNG
(US9227959, 2)
Show SMILES Clc1cccc(c1)C#Cc1ccc(nc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H15ClN2O2/c19-16-3-1-2-14(12-16)4-5-15-6-7-17(20-13-15)18(22)21-8-10-23-11-9-21/h1-3,6-7,12-13H,8-11H2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
19n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))
BDBM199989
PNG
(US9227959, 3)
Show SMILES CC1(C)COCCN1C(=O)c1ccc(cn1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C20H19ClN2O2/c1-20(2)14-25-11-10-23(20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
23n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))
BDBM199990
PNG
(US9227959, 4)
Show SMILES CC1(C)COCCN1C(=O)c1ncc(cn1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H18ClN3O2/c1-19(2)13-25-9-8-23(19)18(24)17-21-11-15(12-22-17)7-6-14-4-3-5-16(20)10-14/h3-5,10-12H,8-9,13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
67n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))
BDBM199987
PNG
(US9227959, 1)
Show SMILES CC1(C)COCCN1C(=O)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O2/c1-20(2)14-25-11-10-23(20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
72n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))
BDBM199985
PNG
(US9227959, Reference Compound 1, Ex. 35)
Show SMILES CC1(C)CN(CCO1)C(=O)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O2/c1-20(2)14-23(10-11-25-20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
201n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))
BDBM199986
PNG
(US9227959, Reference Compound 2, Ex. 46)
Show SMILES CC1(C)CCCN(C1)C(=O)c1ncc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C20H21N3O/c1-20(2)11-6-12-23(15-20)19(24)18-21-13-17(14-22-18)10-9-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,11-12,15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
315n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))
BDBM199985
PNG
(US9227959, Reference Compound 1, Ex. 35)
Show SMILES CC1(C)CN(CCO1)C(=O)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O2/c1-20(2)14-23(10-11-25-20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 46n/an/an/a37



Hoffman-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))
BDBM199986
PNG
(US9227959, Reference Compound 2, Ex. 46)
Show SMILES CC1(C)CCCN(C1)C(=O)c1ncc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C20H21N3O/c1-20(2)11-6-12-23(15-20)19(24)18-21-13-17(14-22-18)10-9-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,11-12,15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 50n/an/an/a37



Hoffman-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%